| SpectraBase Spectrum ID |
CrjXSeD92qS |
| Name |
4-[4-(3-Chlorophenyl)-1-piperazinyl]-5-fluoro-1,2-benzenediamine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.120402459 u |
| Formula |
C16H18ClFN4 |
| InChI |
InChI=1S/C16H18ClFN4/c17-11-2-1-3-12(8-11)21-4-6-22(7-5-21)16-10-15(20)14(19)9-13(16)18/h1-3,8-10H,4-7,19-20H2 |
| InChIKey |
BCRYSDOZWJHVLD-UHFFFAOYSA-N |
| Molecular Weight |
320.799 g/mol |
| SMILES |
Nc1cc(c(cc1N)F)N1CCN(c2cc(ccc2)Cl)CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.892545 |
![4-[4-(3-Chlorophenyl)-1-piperazinyl]-5-fluoro-1,2-benzenediamine](/api/spectrum/CrjXSeD92qS/structure.png?h=300&w=458 "4-[4-(3-Chlorophenyl)-1-piperazinyl]-5-fluoro-1,2-benzenediamine")
